SCHEMBL3258126

SCHEMBL3258126

CCCCCOc1ccc(NC(=O)N(S)C(=O)C2=CCCN(C)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HSD17B10 Q99714 1/20 0.45
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
FAAH O00519 13/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2869529 0.79 MAPT (0.50) NAMPTMAPTHPGDTSHRTAAR1
SCHEMBL3257364 0.69 NR3C1 (0.51) MAPTHPGDTSHRHSD17B10GAA
SCHEMBL10769451 0.68 PTGES (0.58) MAPTTSHRHSD17B10GAAL3MBTL1
SCHEMBL7491784 0.67 LMNA (0.70) MAPTHPGDGAAL3MBTL1FAAH
SCHEMBL2097874 0.67 GAA (0.65) NAMPTGAAL3MBTL1FAAH
SCHEMBL2097878 0.67 GAA (0.69) TSHRGAAL3MBTL1FAAH
SCHEMBL10074139 0.67 GAA (0.61) GAAL3MBTL1FAAH
SCHEMBL5218334 0.65 FAAH (0.70) TSHRGAAL3MBTL1FAAH
SCHEMBL9885419 0.65 FAAH (0.68) MAPTHPGDGAAL3MBTL1FAAH
SCHEMBL2091833 0.65 FAAH (0.70) GAAL3MBTL1FAAH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1747196-B1 SUBSTITUTED ARYL ACYLTHIOUREAS AND RELATED COMPOUNDS; INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS INC (US) 2010-02-10 EP claimed